USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 574 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 LYS NZ :NH3+ -159:sc= -0.0147 (180deg=-0.227) USER MOD Set 1.2: A 46 ASN : amide:sc= 0.0067 X(o=-0.008,f=-0.029) USER MOD Set 2.1: A 31 THR OG1 : rot -160:sc= 0.166 USER MOD Set 2.2: A 37 GLN : amide:sc= -3.73! C(o=-3.6!,f=-3.8!) USER MOD Single : A 1 LYS N :NH3+ 174:sc= -0.771 (180deg=-0.944) USER MOD Single : A 1 LYS NZ :NH3+ 158:sc= -1.02 (180deg=-1.78!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 15:sc= 0.445 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0.00882 USER MOD Single : A 17 HIS : no HE2:sc= 0.576 K(o=0.58,f=-2.6!) USER MOD Single : A 22 ASN : amide:sc= -2.11 K(o=-2.1,f=-11!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -0.133 K(o=-0.13,f=-0.92) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.187 X(o=-0.19,f=-0.38) USER MOD Single : A 33 ASN : amide:sc= -0.732 K(o=-0.73,f=-7.2!) USER MOD Single : A 44 ASN : amide:sc= -0.173 K(o=-0.17,f=-1.3) USER MOD Single : A 45 ASN : amide:sc= -2.62 K(o=-2.6,f=-15!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -162:sc= -0.324 (180deg=-0.936) USER MOD Single : A 59 GLN : amide:sc= -0.338 X(o=-0.34,f=-0.046) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.136) USER MOD Single : A 67 ASN : amide:sc= -0.854 K(o=-0.85,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -9.524 -6.236 8.078 1.00 0.00 N ATOM 2 CA LYS A 1 -10.969 -6.438 8.376 1.00 0.00 C ATOM 3 C LYS A 1 -11.283 -7.937 8.395 1.00 0.00 C ATOM 4 O LYS A 1 -10.508 -8.742 7.878 1.00 0.00 O ATOM 5 CB LYS A 1 -11.813 -5.751 7.298 1.00 0.00 C ATOM 6 CG LYS A 1 -11.397 -6.261 5.915 1.00 0.00 C ATOM 7 CD LYS A 1 -10.405 -5.284 5.282 1.00 0.00 C ATOM 8 CE LYS A 1 -11.170 -4.217 4.497 1.00 0.00 C ATOM 9 NZ LYS A 1 -11.762 -3.231 5.444 1.00 0.00 N ATOM 0 H1 LYS A 1 -9.332 -5.220 7.965 1.00 0.00 H new ATOM 0 H2 LYS A 1 -8.952 -6.611 8.861 1.00 0.00 H new ATOM 0 H3 LYS A 1 -9.278 -6.735 7.199 1.00 0.00 H new ATOM 0 HA LYS A 1 -11.203 -6.007 9.349 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -12.871 -5.952 7.467 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -11.681 -4.670 7.353 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -10.944 -7.249 6.002 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -12.274 -6.368 5.277 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -9.796 -4.815 6.055 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -9.724 -5.819 4.620 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -10.500 -3.712 3.802 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -11.956 -4.682 3.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -11.949 -2.339 4.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -12.653 -3.608 5.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -11.097 -3.057 6.225 1.00 0.00 H new ATOM 25 N PRO A 2 -12.422 -8.336 8.986 1.00 0.00 N ATOM 26 CA PRO A 2 -12.819 -9.755 9.059 1.00 0.00 C ATOM 27 C PRO A 2 -13.512 -10.234 7.784 1.00 0.00 C ATOM 28 O PRO A 2 -13.469 -9.567 6.750 1.00 0.00 O ATOM 29 CB PRO A 2 -13.784 -9.772 10.238 1.00 0.00 C ATOM 30 CG PRO A 2 -14.338 -8.362 10.383 1.00 0.00 C ATOM 31 CD PRO A 2 -13.398 -7.419 9.627 1.00 0.00 C ATOM 0 HA PRO A 2 -11.964 -10.421 9.174 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -14.589 -10.486 10.067 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -13.273 -10.081 11.150 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -15.348 -8.303 9.977 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -14.400 -8.080 11.434 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -13.936 -6.826 8.887 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -12.906 -6.718 10.301 1.00 0.00 H new ATOM 39 N VAL A 3 -14.150 -11.400 7.871 1.00 0.00 N ATOM 40 CA VAL A 3 -14.851 -11.970 6.718 1.00 0.00 C ATOM 41 C VAL A 3 -13.862 -12.300 5.605 1.00 0.00 C ATOM 42 O VAL A 3 -13.097 -11.445 5.159 1.00 0.00 O ATOM 43 CB VAL A 3 -15.903 -10.992 6.180 1.00 0.00 C ATOM 44 CG1 VAL A 3 -16.754 -11.690 5.118 1.00 0.00 C ATOM 45 CG2 VAL A 3 -16.803 -10.528 7.327 1.00 0.00 C ATOM 0 H VAL A 3 -14.197 -11.965 8.719 1.00 0.00 H new ATOM 0 HA VAL A 3 -15.348 -12.882 7.048 1.00 0.00 H new ATOM 0 HB VAL A 3 -15.403 -10.130 5.738 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -17.501 -10.995 4.736 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -16.115 -12.021 4.300 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -17.253 -12.552 5.561 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -17.551 -9.833 6.945 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -17.302 -11.390 7.770 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -16.199 -10.030 8.085 1.00 0.00 H new ATOM 55 N SER A 4 -13.887 -13.553 5.162 1.00 0.00 N ATOM 56 CA SER A 4 -12.987 -13.994 4.099 1.00 0.00 C ATOM 57 C SER A 4 -13.322 -15.422 3.677 1.00 0.00 C ATOM 58 O SER A 4 -13.181 -16.363 4.457 1.00 0.00 O ATOM 59 CB SER A 4 -11.535 -13.942 4.572 1.00 0.00 C ATOM 60 OG SER A 4 -10.693 -13.644 3.466 1.00 0.00 O ATOM 0 H SER A 4 -14.513 -14.275 5.517 1.00 0.00 H new ATOM 0 HA SER A 4 -13.115 -13.324 3.249 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.419 -13.184 5.347 1.00 0.00 H new ATOM 0 HB3 SER A 4 -11.250 -14.896 5.015 1.00 0.00 H new ATOM 0 HG SER A 4 -9.760 -13.608 3.765 1.00 0.00 H new ATOM 66 N LEU A 5 -13.766 -15.570 2.432 1.00 0.00 N ATOM 67 CA LEU A 5 -14.120 -16.888 1.913 1.00 0.00 C ATOM 68 C LEU A 5 -13.059 -17.380 0.936 1.00 0.00 C ATOM 69 O LEU A 5 -12.284 -18.287 1.240 1.00 0.00 O ATOM 70 CB LEU A 5 -15.476 -16.839 1.204 1.00 0.00 C ATOM 71 CG LEU A 5 -16.593 -16.766 2.246 1.00 0.00 C ATOM 72 CD1 LEU A 5 -16.743 -15.324 2.734 1.00 0.00 C ATOM 73 CD2 LEU A 5 -17.909 -17.229 1.615 1.00 0.00 C ATOM 0 H LEU A 5 -13.888 -14.804 1.770 1.00 0.00 H new ATOM 0 HA LEU A 5 -14.180 -17.577 2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -15.522 -15.973 0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -15.604 -17.723 0.579 1.00 0.00 H new ATOM 0 HG LEU A 5 -16.346 -17.411 3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -17.539 -15.272 3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -15.806 -14.992 3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -16.990 -14.679 1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -18.706 -17.177 2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -18.155 -16.583 0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -17.804 -18.256 1.266 1.00 0.00 H new ATOM 85 N SER A 6 -13.037 -16.769 -0.239 1.00 0.00 N ATOM 86 CA SER A 6 -12.070 -17.143 -1.268 1.00 0.00 C ATOM 87 C SER A 6 -11.781 -15.962 -2.186 1.00 0.00 C ATOM 88 O SER A 6 -10.711 -15.355 -2.128 1.00 0.00 O ATOM 89 CB SER A 6 -12.598 -18.313 -2.100 1.00 0.00 C ATOM 90 OG SER A 6 -12.486 -19.514 -1.346 1.00 0.00 O ATOM 0 H SER A 6 -13.672 -16.017 -0.506 1.00 0.00 H new ATOM 0 HA SER A 6 -11.148 -17.443 -0.770 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.638 -18.138 -2.375 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.033 -18.399 -3.028 1.00 0.00 H new ATOM 0 HG SER A 6 -12.322 -19.295 -0.405 1.00 0.00 H new ATOM 96 N TYR A 7 -12.749 -15.645 -3.033 1.00 0.00 N ATOM 97 CA TYR A 7 -12.602 -14.534 -3.967 1.00 0.00 C ATOM 98 C TYR A 7 -12.643 -13.208 -3.221 1.00 0.00 C ATOM 99 O TYR A 7 -13.446 -13.010 -2.310 1.00 0.00 O ATOM 100 CB TYR A 7 -13.706 -14.557 -5.027 1.00 0.00 C ATOM 101 CG TYR A 7 -15.054 -14.646 -4.359 1.00 0.00 C ATOM 102 CD1 TYR A 7 -15.651 -13.495 -3.840 1.00 0.00 C ATOM 103 CD2 TYR A 7 -15.706 -15.877 -4.265 1.00 0.00 C ATOM 104 CE1 TYR A 7 -16.906 -13.573 -3.223 1.00 0.00 C ATOM 105 CE2 TYR A 7 -16.960 -15.961 -3.647 1.00 0.00 C ATOM 106 CZ TYR A 7 -17.561 -14.807 -3.127 1.00 0.00 C ATOM 107 OH TYR A 7 -18.797 -14.887 -2.519 1.00 0.00 O ATOM 0 H TYR A 7 -13.640 -16.137 -3.095 1.00 0.00 H new ATOM 0 HA TYR A 7 -11.638 -14.641 -4.464 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -13.653 -13.657 -5.640 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -13.564 -15.407 -5.695 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -15.145 -12.544 -3.914 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -15.243 -16.765 -4.669 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -17.368 -12.683 -2.822 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -17.463 -16.914 -3.571 1.00 0.00 H new ATOM 0 HH TYR A 7 -19.111 -15.815 -2.538 1.00 0.00 H new ATOM 117 N ARG A 8 -11.752 -12.302 -3.614 1.00 0.00 N ATOM 118 CA ARG A 8 -11.673 -10.988 -2.977 1.00 0.00 C ATOM 119 C ARG A 8 -10.546 -10.164 -3.608 1.00 0.00 C ATOM 120 O ARG A 8 -10.038 -10.500 -4.677 1.00 0.00 O ATOM 121 CB ARG A 8 -11.421 -11.142 -1.464 1.00 0.00 C ATOM 122 CG ARG A 8 -12.574 -10.514 -0.677 1.00 0.00 C ATOM 123 CD ARG A 8 -12.144 -10.299 0.775 1.00 0.00 C ATOM 124 NE ARG A 8 -13.145 -9.519 1.498 1.00 0.00 N ATOM 125 CZ ARG A 8 -14.387 -9.970 1.650 1.00 0.00 C ATOM 126 NH1 ARG A 8 -14.597 -11.235 1.890 1.00 0.00 N ATOM 127 NH2 ARG A 8 -15.395 -9.147 1.558 1.00 0.00 N ATOM 0 H ARG A 8 -11.078 -12.450 -4.365 1.00 0.00 H new ATOM 0 HA ARG A 8 -12.621 -10.471 -3.127 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -11.327 -12.197 -1.208 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.480 -10.663 -1.193 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -12.860 -9.563 -1.127 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -13.450 -11.162 -0.716 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -12.003 -11.263 1.265 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.184 -9.784 0.803 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.888 -8.614 1.893 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -13.809 -11.878 1.961 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -15.550 -11.581 2.007 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -15.230 -8.158 1.370 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -16.348 -9.492 1.674 1.00 0.00 H new ATOM 141 N CYS A 9 -10.158 -9.083 -2.926 1.00 0.00 N ATOM 142 CA CYS A 9 -9.084 -8.212 -3.416 1.00 0.00 C ATOM 143 C CYS A 9 -7.812 -9.030 -3.675 1.00 0.00 C ATOM 144 O CYS A 9 -7.679 -10.143 -3.167 1.00 0.00 O ATOM 145 CB CYS A 9 -8.777 -7.119 -2.381 1.00 0.00 C ATOM 146 SG CYS A 9 -10.295 -6.228 -1.950 1.00 0.00 S ATOM 0 H CYS A 9 -10.568 -8.791 -2.039 1.00 0.00 H new ATOM 0 HA CYS A 9 -9.413 -7.751 -4.347 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -8.342 -7.565 -1.487 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -8.039 -6.424 -2.782 1.00 0.00 H new ATOM 151 N PRO A 10 -6.858 -8.502 -4.462 1.00 0.00 N ATOM 152 CA PRO A 10 -5.606 -9.228 -4.759 1.00 0.00 C ATOM 153 C PRO A 10 -4.642 -9.222 -3.579 1.00 0.00 C ATOM 154 O PRO A 10 -3.895 -10.176 -3.364 1.00 0.00 O ATOM 155 CB PRO A 10 -5.039 -8.469 -5.950 1.00 0.00 C ATOM 156 CG PRO A 10 -5.636 -7.073 -5.910 1.00 0.00 C ATOM 157 CD PRO A 10 -6.935 -7.163 -5.105 1.00 0.00 C ATOM 0 HA PRO A 10 -5.774 -10.285 -4.964 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.951 -8.425 -5.897 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.293 -8.971 -6.884 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -4.943 -6.371 -5.446 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.832 -6.709 -6.918 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.003 -6.366 -4.364 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.811 -7.077 -5.748 1.00 0.00 H new ATOM 165 N CYS A 11 -4.681 -8.144 -2.802 1.00 0.00 N ATOM 166 CA CYS A 11 -3.818 -8.040 -1.630 1.00 0.00 C ATOM 167 C CYS A 11 -4.532 -8.607 -0.411 1.00 0.00 C ATOM 168 O CYS A 11 -5.752 -8.508 -0.279 1.00 0.00 O ATOM 169 CB CYS A 11 -3.425 -6.587 -1.350 1.00 0.00 C ATOM 170 SG CYS A 11 -1.884 -6.203 -2.226 1.00 0.00 S ATOM 0 H CYS A 11 -5.291 -7.341 -2.959 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.911 -8.610 -1.834 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.219 -5.914 -1.675 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.296 -6.433 -0.279 1.00 0.00 H new ATOM 175 N ARG A 12 -3.749 -9.202 0.473 1.00 0.00 N ATOM 176 CA ARG A 12 -4.293 -9.793 1.691 1.00 0.00 C ATOM 177 C ARG A 12 -3.629 -9.176 2.914 1.00 0.00 C ATOM 178 O ARG A 12 -4.289 -8.834 3.894 1.00 0.00 O ATOM 179 CB ARG A 12 -4.058 -11.306 1.704 1.00 0.00 C ATOM 180 CG ARG A 12 -4.658 -11.930 0.441 1.00 0.00 C ATOM 181 CD ARG A 12 -6.054 -12.472 0.749 1.00 0.00 C ATOM 182 NE ARG A 12 -5.989 -13.884 1.114 1.00 0.00 N ATOM 183 CZ ARG A 12 -7.012 -14.484 1.715 1.00 0.00 C ATOM 184 NH1 ARG A 12 -8.101 -14.746 1.043 1.00 0.00 N ATOM 185 NH2 ARG A 12 -6.929 -14.812 2.975 1.00 0.00 N ATOM 0 H ARG A 12 -2.738 -9.290 0.374 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.365 -9.595 1.717 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.990 -11.518 1.754 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.513 -11.747 2.591 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.713 -11.186 -0.353 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.016 -12.734 0.080 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.500 -11.901 1.563 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.699 -12.345 -0.120 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.146 -14.418 0.905 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.166 -14.490 0.058 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.886 -15.206 1.504 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.079 -14.608 3.500 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.714 -15.272 3.435 1.00 0.00 H new ATOM 199 N PHE A 13 -2.312 -9.033 2.837 1.00 0.00 N ATOM 200 CA PHE A 13 -1.553 -8.447 3.937 1.00 0.00 C ATOM 201 C PHE A 13 -0.806 -7.213 3.452 1.00 0.00 C ATOM 202 O PHE A 13 -0.096 -7.251 2.447 1.00 0.00 O ATOM 203 CB PHE A 13 -0.542 -9.445 4.503 1.00 0.00 C ATOM 204 CG PHE A 13 -1.226 -10.762 4.791 1.00 0.00 C ATOM 205 CD1 PHE A 13 -1.919 -10.943 5.995 1.00 0.00 C ATOM 206 CD2 PHE A 13 -1.169 -11.801 3.855 1.00 0.00 C ATOM 207 CE1 PHE A 13 -2.554 -12.161 6.261 1.00 0.00 C ATOM 208 CE2 PHE A 13 -1.804 -13.020 4.121 1.00 0.00 C ATOM 209 CZ PHE A 13 -2.496 -13.200 5.325 1.00 0.00 C ATOM 0 H PHE A 13 -1.750 -9.312 2.032 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.259 -8.175 4.722 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.271 -9.595 3.793 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.098 -9.048 5.416 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.963 -10.142 6.718 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.635 -11.662 2.927 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.089 -12.300 7.189 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.760 -13.821 3.398 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.985 -14.141 5.531 1.00 0.00 H new ATOM 219 N PHE A 14 -0.979 -6.118 4.177 1.00 0.00 N ATOM 220 CA PHE A 14 -0.321 -4.866 3.819 1.00 0.00 C ATOM 221 C PHE A 14 0.982 -4.711 4.589 1.00 0.00 C ATOM 222 O PHE A 14 1.068 -5.061 5.767 1.00 0.00 O ATOM 223 CB PHE A 14 -1.223 -3.678 4.146 1.00 0.00 C ATOM 224 CG PHE A 14 -2.146 -3.395 2.988 1.00 0.00 C ATOM 225 CD1 PHE A 14 -2.940 -4.415 2.448 1.00 0.00 C ATOM 226 CD2 PHE A 14 -2.210 -2.105 2.460 1.00 0.00 C ATOM 227 CE1 PHE A 14 -3.799 -4.137 1.377 1.00 0.00 C ATOM 228 CE2 PHE A 14 -3.065 -1.826 1.389 1.00 0.00 C ATOM 229 CZ PHE A 14 -3.859 -2.842 0.847 1.00 0.00 C ATOM 0 H PHE A 14 -1.564 -6.068 5.011 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.116 -4.890 2.749 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.806 -3.890 5.042 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.616 -2.799 4.361 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.890 -5.414 2.857 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.598 -1.320 2.879 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.414 -4.921 0.960 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.112 -0.827 0.981 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.519 -2.628 0.019 1.00 0.00 H new ATOM 239 N GLU A 15 1.993 -4.172 3.917 1.00 0.00 N ATOM 240 CA GLU A 15 3.284 -3.967 4.562 1.00 0.00 C ATOM 241 C GLU A 15 3.385 -2.538 5.092 1.00 0.00 C ATOM 242 O GLU A 15 4.067 -1.691 4.517 1.00 0.00 O ATOM 243 CB GLU A 15 4.428 -4.230 3.578 1.00 0.00 C ATOM 244 CG GLU A 15 4.338 -5.671 3.059 1.00 0.00 C ATOM 245 CD GLU A 15 5.737 -6.269 2.944 1.00 0.00 C ATOM 246 OE1 GLU A 15 6.570 -5.946 3.775 1.00 0.00 O ATOM 247 OE2 GLU A 15 5.954 -7.045 2.029 1.00 0.00 O ATOM 0 H GLU A 15 1.946 -3.874 2.943 1.00 0.00 H new ATOM 0 HA GLU A 15 3.366 -4.668 5.392 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.374 -3.529 2.745 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.388 -4.069 4.069 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.730 -6.273 3.734 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.845 -5.687 2.087 1.00 0.00 H new ATOM 254 N SER A 16 2.691 -2.279 6.199 1.00 0.00 N ATOM 255 CA SER A 16 2.708 -0.946 6.800 1.00 0.00 C ATOM 256 C SER A 16 4.127 -0.562 7.211 1.00 0.00 C ATOM 257 O SER A 16 4.490 0.614 7.216 1.00 0.00 O ATOM 258 CB SER A 16 1.802 -0.898 8.031 1.00 0.00 C ATOM 259 OG SER A 16 2.039 -2.046 8.835 1.00 0.00 O ATOM 0 H SER A 16 2.118 -2.963 6.692 1.00 0.00 H new ATOM 0 HA SER A 16 2.342 -0.240 6.055 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.997 0.008 8.605 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.756 -0.863 7.726 1.00 0.00 H new ATOM 0 HG SER A 16 1.461 -2.017 9.626 1.00 0.00 H new ATOM 265 N HIS A 17 4.932 -1.570 7.548 1.00 0.00 N ATOM 266 CA HIS A 17 6.318 -1.327 7.948 1.00 0.00 C ATOM 267 C HIS A 17 7.089 -0.601 6.842 1.00 0.00 C ATOM 268 O HIS A 17 8.115 0.029 7.098 1.00 0.00 O ATOM 269 CB HIS A 17 7.023 -2.650 8.258 1.00 0.00 C ATOM 270 CG HIS A 17 8.065 -2.431 9.322 1.00 0.00 C ATOM 271 ND1 HIS A 17 8.708 -1.213 9.489 1.00 0.00 N ATOM 272 CD2 HIS A 17 8.588 -3.264 10.279 1.00 0.00 C ATOM 273 CE1 HIS A 17 9.572 -1.348 10.511 1.00 0.00 C ATOM 274 NE2 HIS A 17 9.539 -2.579 11.028 1.00 0.00 N ATOM 0 H HIS A 17 4.653 -2.551 7.552 1.00 0.00 H new ATOM 0 HA HIS A 17 6.299 -0.701 8.840 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.297 -3.391 8.593 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.488 -3.046 7.355 1.00 0.00 H new ATOM 0 HD1 HIS A 17 8.554 -0.369 8.937 1.00 0.00 H new ATOM 0 HD2 HIS A 17 8.304 -4.295 10.428 1.00 0.00 H new ATOM 0 HE1 HIS A 17 10.214 -0.557 10.870 1.00 0.00 H new ATOM 282 N VAL A 18 6.586 -0.695 5.606 1.00 0.00 N ATOM 283 CA VAL A 18 7.231 -0.046 4.468 1.00 0.00 C ATOM 284 C VAL A 18 7.424 1.447 4.732 1.00 0.00 C ATOM 285 O VAL A 18 6.743 2.048 5.563 1.00 0.00 O ATOM 286 CB VAL A 18 6.378 -0.238 3.201 1.00 0.00 C ATOM 287 CG1 VAL A 18 7.024 0.466 2.000 1.00 0.00 C ATOM 288 CG2 VAL A 18 6.263 -1.730 2.896 1.00 0.00 C ATOM 0 H VAL A 18 5.738 -1.212 5.373 1.00 0.00 H new ATOM 0 HA VAL A 18 8.209 -0.505 4.323 1.00 0.00 H new ATOM 0 HB VAL A 18 5.392 0.193 3.375 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.405 0.318 1.115 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.111 1.533 2.207 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.015 0.048 1.823 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.660 -1.873 1.999 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.257 -2.146 2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.790 -2.238 3.736 1.00 0.00 H new ATOM 298 N ALA A 19 8.361 2.025 3.998 1.00 0.00 N ATOM 299 CA ALA A 19 8.663 3.442 4.123 1.00 0.00 C ATOM 300 C ALA A 19 9.109 3.990 2.774 1.00 0.00 C ATOM 301 O ALA A 19 9.829 3.331 2.028 1.00 0.00 O ATOM 302 CB ALA A 19 9.768 3.671 5.152 1.00 0.00 C ATOM 0 H ALA A 19 8.927 1.533 3.307 1.00 0.00 H new ATOM 0 HA ALA A 19 7.763 3.959 4.455 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.978 4.738 5.229 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.446 3.293 6.122 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.670 3.145 4.840 1.00 0.00 H new ATOM 308 N ARG A 20 8.663 5.205 2.469 1.00 0.00 N ATOM 309 CA ARG A 20 8.997 5.863 1.197 1.00 0.00 C ATOM 310 C ARG A 20 10.477 5.706 0.831 1.00 0.00 C ATOM 311 O ARG A 20 10.839 5.702 -0.346 1.00 0.00 O ATOM 312 CB ARG A 20 8.669 7.350 1.277 1.00 0.00 C ATOM 313 CG ARG A 20 8.371 7.893 -0.127 1.00 0.00 C ATOM 314 CD ARG A 20 9.045 9.256 -0.308 1.00 0.00 C ATOM 315 NE ARG A 20 8.174 10.328 0.165 1.00 0.00 N ATOM 316 CZ ARG A 20 8.539 11.603 0.059 1.00 0.00 C ATOM 317 NH1 ARG A 20 9.725 11.976 0.455 1.00 0.00 N ATOM 318 NH2 ARG A 20 7.712 12.479 -0.441 1.00 0.00 N ATOM 0 H ARG A 20 8.067 5.760 3.083 1.00 0.00 H new ATOM 0 HA ARG A 20 8.401 5.378 0.424 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.809 7.508 1.928 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.505 7.893 1.717 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.733 7.195 -0.882 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.295 7.987 -0.270 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.987 9.277 0.240 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.284 9.412 -1.360 1.00 0.00 H new ATOM 0 HE ARG A 20 7.273 10.096 0.583 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.371 11.290 0.845 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.006 12.953 0.374 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.785 12.187 -0.751 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.992 13.456 -0.522 1.00 0.00 H new ATOM 332 N ALA A 21 11.328 5.578 1.847 1.00 0.00 N ATOM 333 CA ALA A 21 12.762 5.425 1.612 1.00 0.00 C ATOM 334 C ALA A 21 13.043 4.185 0.771 1.00 0.00 C ATOM 335 O ALA A 21 13.548 4.275 -0.348 1.00 0.00 O ATOM 336 CB ALA A 21 13.515 5.310 2.938 1.00 0.00 C ATOM 0 H ALA A 21 11.054 5.577 2.830 1.00 0.00 H new ATOM 0 HA ALA A 21 13.106 6.309 1.075 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.581 5.197 2.742 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.348 6.210 3.530 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.153 4.441 3.488 1.00 0.00 H new ATOM 342 N ASN A 22 12.709 3.025 1.325 1.00 0.00 N ATOM 343 CA ASN A 22 12.927 1.766 0.620 1.00 0.00 C ATOM 344 C ASN A 22 11.929 1.589 -0.527 1.00 0.00 C ATOM 345 O ASN A 22 12.104 0.711 -1.372 1.00 0.00 O ATOM 346 CB ASN A 22 12.810 0.582 1.584 1.00 0.00 C ATOM 347 CG ASN A 22 11.507 0.670 2.370 1.00 0.00 C ATOM 348 OD1 ASN A 22 11.282 1.632 3.104 1.00 0.00 O ATOM 349 ND2 ASN A 22 10.631 -0.290 2.266 1.00 0.00 N ATOM 0 H ASN A 22 12.291 2.929 2.250 1.00 0.00 H new ATOM 0 HA ASN A 22 13.934 1.796 0.203 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.845 -0.354 1.027 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.657 0.577 2.270 1.00 0.00 H new ATOM 0 HD21 ASN A 22 9.759 -0.244 2.793 1.00 0.00 H new ATOM 0 HD22 ASN A 22 10.818 -1.087 1.658 1.00 0.00 H new ATOM 356 N VAL A 23 10.894 2.431 -0.575 1.00 0.00 N ATOM 357 CA VAL A 23 9.918 2.333 -1.655 1.00 0.00 C ATOM 358 C VAL A 23 10.484 3.003 -2.899 1.00 0.00 C ATOM 359 O VAL A 23 10.943 4.145 -2.853 1.00 0.00 O ATOM 360 CB VAL A 23 8.601 3.012 -1.279 1.00 0.00 C ATOM 361 CG1 VAL A 23 7.548 2.712 -2.351 1.00 0.00 C ATOM 362 CG2 VAL A 23 8.113 2.490 0.080 1.00 0.00 C ATOM 0 H VAL A 23 10.715 3.170 0.105 1.00 0.00 H new ATOM 0 HA VAL A 23 9.719 1.278 -1.842 1.00 0.00 H new ATOM 0 HB VAL A 23 8.759 4.088 -1.213 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.609 3.196 -2.084 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.890 3.091 -3.314 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.395 1.635 -2.419 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.174 2.978 0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.958 1.413 0.022 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.860 2.708 0.843 1.00 0.00 H new ATOM 372 N LYS A 24 10.469 2.275 -4.005 1.00 0.00 N ATOM 373 CA LYS A 24 11.010 2.804 -5.252 1.00 0.00 C ATOM 374 C LYS A 24 9.908 3.321 -6.168 1.00 0.00 C ATOM 375 O LYS A 24 10.065 4.355 -6.817 1.00 0.00 O ATOM 376 CB LYS A 24 11.797 1.725 -5.991 1.00 0.00 C ATOM 377 CG LYS A 24 12.584 2.361 -7.137 1.00 0.00 C ATOM 378 CD LYS A 24 13.793 3.113 -6.573 1.00 0.00 C ATOM 379 CE LYS A 24 14.551 3.790 -7.715 1.00 0.00 C ATOM 380 NZ LYS A 24 14.036 5.177 -7.897 1.00 0.00 N ATOM 0 H LYS A 24 10.094 1.329 -4.068 1.00 0.00 H new ATOM 0 HA LYS A 24 11.667 3.633 -4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 24 12.477 1.222 -5.304 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.118 0.966 -6.380 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.914 1.592 -7.836 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.945 3.045 -7.695 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.465 3.858 -5.848 1.00 0.00 H new ATOM 0 HD3 LYS A 24 14.450 2.422 -6.045 1.00 0.00 H new ATOM 0 HE2 LYS A 24 15.618 3.812 -7.495 1.00 0.00 H new ATOM 0 HE3 LYS A 24 14.427 3.221 -8.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.551 5.639 -8.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.022 5.144 -8.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 14.176 5.717 -7.019 1.00 0.00 H new ATOM 394 N HIS A 25 8.799 2.589 -6.235 1.00 0.00 N ATOM 395 CA HIS A 25 7.701 3.006 -7.107 1.00 0.00 C ATOM 396 C HIS A 25 6.346 2.740 -6.464 1.00 0.00 C ATOM 397 O HIS A 25 6.205 1.875 -5.599 1.00 0.00 O ATOM 398 CB HIS A 25 7.770 2.260 -8.441 1.00 0.00 C ATOM 399 CG HIS A 25 8.659 3.013 -9.392 1.00 0.00 C ATOM 400 ND1 HIS A 25 10.028 2.810 -9.441 1.00 0.00 N ATOM 401 CD2 HIS A 25 8.388 3.972 -10.336 1.00 0.00 C ATOM 402 CE1 HIS A 25 10.527 3.628 -10.385 1.00 0.00 C ATOM 403 NE2 HIS A 25 9.569 4.360 -10.962 1.00 0.00 N ATOM 0 H HIS A 25 8.637 1.728 -5.713 1.00 0.00 H new ATOM 0 HA HIS A 25 7.807 4.078 -7.273 1.00 0.00 H new ATOM 0 HB2 HIS A 25 8.156 1.252 -8.287 1.00 0.00 H new ATOM 0 HB3 HIS A 25 6.771 2.157 -8.864 1.00 0.00 H new ATOM 0 HD2 HIS A 25 7.407 4.366 -10.559 1.00 0.00 H new ATOM 0 HE1 HIS A 25 11.574 3.686 -10.645 1.00 0.00 H new ATOM 0 HE2 HIS A 25 9.680 5.054 -11.702 1.00 0.00 H new ATOM 411 N LEU A 26 5.345 3.495 -6.912 1.00 0.00 N ATOM 412 CA LEU A 26 3.991 3.339 -6.394 1.00 0.00 C ATOM 413 C LEU A 26 3.030 2.988 -7.521 1.00 0.00 C ATOM 414 O LEU A 26 3.176 3.446 -8.654 1.00 0.00 O ATOM 415 CB LEU A 26 3.487 4.630 -5.741 1.00 0.00 C ATOM 416 CG LEU A 26 3.962 4.755 -4.284 1.00 0.00 C ATOM 417 CD1 LEU A 26 3.330 6.006 -3.668 1.00 0.00 C ATOM 418 CD2 LEU A 26 3.531 3.528 -3.468 1.00 0.00 C ATOM 0 H LEU A 26 5.446 4.215 -7.627 1.00 0.00 H new ATOM 0 HA LEU A 26 4.026 2.542 -5.652 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.839 5.488 -6.313 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.398 4.652 -5.771 1.00 0.00 H new ATOM 0 HG LEU A 26 5.050 4.824 -4.269 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.658 6.108 -2.634 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.637 6.885 -4.234 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.244 5.917 -3.697 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.876 3.635 -2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.444 3.447 -3.479 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.966 2.629 -3.905 1.00 0.00 H new ATOM 430 N LYS A 27 2.035 2.186 -7.183 1.00 0.00 N ATOM 431 CA LYS A 27 1.020 1.781 -8.154 1.00 0.00 C ATOM 432 C LYS A 27 -0.287 1.479 -7.430 1.00 0.00 C ATOM 433 O LYS A 27 -0.290 1.203 -6.233 1.00 0.00 O ATOM 434 CB LYS A 27 1.472 0.541 -8.928 1.00 0.00 C ATOM 435 CG LYS A 27 2.265 0.971 -10.164 1.00 0.00 C ATOM 436 CD LYS A 27 2.413 -0.218 -11.115 1.00 0.00 C ATOM 437 CE LYS A 27 3.722 -0.950 -10.816 1.00 0.00 C ATOM 438 NZ LYS A 27 4.134 -1.738 -12.012 1.00 0.00 N ATOM 0 H LYS A 27 1.904 1.801 -6.248 1.00 0.00 H new ATOM 0 HA LYS A 27 0.872 2.597 -8.861 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.088 -0.094 -8.291 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.606 -0.050 -9.226 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.756 1.792 -10.668 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.248 1.339 -9.869 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.569 -0.898 -10.999 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.405 0.126 -12.149 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.500 -0.233 -10.553 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.594 -1.610 -9.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.024 -2.236 -11.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.394 -2.431 -12.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.272 -1.097 -12.819 1.00 0.00 H new ATOM 452 N ILE A 28 -1.400 1.542 -8.155 1.00 0.00 N ATOM 453 CA ILE A 28 -2.699 1.276 -7.550 1.00 0.00 C ATOM 454 C ILE A 28 -3.559 0.423 -8.477 1.00 0.00 C ATOM 455 O ILE A 28 -3.536 0.586 -9.697 1.00 0.00 O ATOM 456 CB ILE A 28 -3.428 2.590 -7.259 1.00 0.00 C ATOM 457 CG1 ILE A 28 -2.527 3.499 -6.419 1.00 0.00 C ATOM 458 CG2 ILE A 28 -4.714 2.300 -6.486 1.00 0.00 C ATOM 459 CD1 ILE A 28 -3.177 4.877 -6.283 1.00 0.00 C ATOM 0 H ILE A 28 -1.429 1.772 -9.148 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.532 0.737 -6.618 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.671 3.085 -8.199 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.368 3.061 -5.433 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.547 3.592 -6.888 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.233 3.236 -6.279 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.358 1.652 -7.081 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.470 1.805 -5.546 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.536 5.524 -5.685 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.313 5.314 -7.272 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.146 4.775 -5.795 1.00 0.00 H new ATOM 471 N LEU A 29 -4.330 -0.480 -7.878 1.00 0.00 N ATOM 472 CA LEU A 29 -5.210 -1.349 -8.652 1.00 0.00 C ATOM 473 C LEU A 29 -6.663 -0.944 -8.433 1.00 0.00 C ATOM 474 O LEU A 29 -7.190 -1.042 -7.324 1.00 0.00 O ATOM 475 CB LEU A 29 -5.031 -2.810 -8.239 1.00 0.00 C ATOM 476 CG LEU A 29 -3.749 -3.366 -8.860 1.00 0.00 C ATOM 477 CD1 LEU A 29 -2.537 -2.658 -8.253 1.00 0.00 C ATOM 478 CD2 LEU A 29 -3.656 -4.867 -8.578 1.00 0.00 C ATOM 0 H LEU A 29 -4.364 -0.628 -6.869 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.950 -1.244 -9.705 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.984 -2.888 -7.153 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.889 -3.398 -8.564 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.765 -3.198 -9.937 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.624 -3.055 -8.696 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.602 -1.589 -8.453 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.520 -2.825 -7.176 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.742 -5.264 -9.020 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.640 -5.035 -7.501 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.519 -5.373 -9.011 1.00 0.00 H new ATOM 490 N ASN A 30 -7.302 -0.480 -9.501 1.00 0.00 N ATOM 491 CA ASN A 30 -8.695 -0.051 -9.416 1.00 0.00 C ATOM 492 C ASN A 30 -9.637 -1.225 -9.658 1.00 0.00 C ATOM 493 O ASN A 30 -10.091 -1.457 -10.780 1.00 0.00 O ATOM 494 CB ASN A 30 -8.982 1.041 -10.447 1.00 0.00 C ATOM 495 CG ASN A 30 -10.352 1.652 -10.172 1.00 0.00 C ATOM 496 OD1 ASN A 30 -11.379 1.014 -10.398 1.00 0.00 O ATOM 497 ND2 ASN A 30 -10.428 2.862 -9.691 1.00 0.00 N ATOM 0 H ASN A 30 -6.884 -0.391 -10.427 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.862 0.342 -8.413 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.212 1.811 -10.400 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.954 0.623 -11.453 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.339 3.279 -9.502 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.576 3.391 -9.504 1.00 0.00 H new ATOM 504 N THR A 31 -9.929 -1.958 -8.589 1.00 0.00 N ATOM 505 CA THR A 31 -10.825 -3.105 -8.678 1.00 0.00 C ATOM 506 C THR A 31 -12.246 -2.680 -8.290 1.00 0.00 C ATOM 507 O THR A 31 -12.419 -1.804 -7.442 1.00 0.00 O ATOM 508 CB THR A 31 -10.351 -4.219 -7.733 1.00 0.00 C ATOM 509 OG1 THR A 31 -8.964 -4.056 -7.465 1.00 0.00 O ATOM 510 CG2 THR A 31 -10.581 -5.585 -8.380 1.00 0.00 C ATOM 0 H THR A 31 -9.560 -1.780 -7.655 1.00 0.00 H new ATOM 0 HA THR A 31 -10.821 -3.478 -9.702 1.00 0.00 H new ATOM 0 HB THR A 31 -10.916 -4.160 -6.803 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.591 -4.903 -7.142 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.242 -6.370 -7.704 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.643 -5.716 -8.585 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.021 -5.644 -9.314 1.00 0.00 H new ATOM 518 N PRO A 32 -13.285 -3.280 -8.896 1.00 0.00 N ATOM 519 CA PRO A 32 -14.683 -2.926 -8.582 1.00 0.00 C ATOM 520 C PRO A 32 -15.158 -3.549 -7.275 1.00 0.00 C ATOM 521 O PRO A 32 -15.754 -2.879 -6.431 1.00 0.00 O ATOM 522 CB PRO A 32 -15.454 -3.479 -9.772 1.00 0.00 C ATOM 523 CG PRO A 32 -14.603 -4.583 -10.378 1.00 0.00 C ATOM 524 CD PRO A 32 -13.161 -4.348 -9.922 1.00 0.00 C ATOM 0 HA PRO A 32 -14.820 -1.854 -8.437 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -16.423 -3.867 -9.457 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -15.647 -2.695 -10.504 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -14.954 -5.562 -10.052 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -14.670 -4.566 -11.466 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.720 -5.254 -9.506 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.525 -4.036 -10.750 1.00 0.00 H new ATOM 532 N ASN A 33 -14.870 -4.834 -7.108 1.00 0.00 N ATOM 533 CA ASN A 33 -15.253 -5.539 -5.892 1.00 0.00 C ATOM 534 C ASN A 33 -14.600 -4.886 -4.671 1.00 0.00 C ATOM 535 O ASN A 33 -15.127 -4.947 -3.560 1.00 0.00 O ATOM 536 CB ASN A 33 -14.821 -7.004 -5.963 1.00 0.00 C ATOM 537 CG ASN A 33 -15.413 -7.649 -7.211 1.00 0.00 C ATOM 538 OD1 ASN A 33 -15.330 -7.091 -8.305 1.00 0.00 O ATOM 539 ND2 ASN A 33 -16.013 -8.805 -7.112 1.00 0.00 N ATOM 0 H ASN A 33 -14.376 -5.405 -7.794 1.00 0.00 H new ATOM 0 HA ASN A 33 -16.338 -5.486 -5.799 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -13.733 -7.073 -5.986 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -15.155 -7.536 -5.072 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -16.412 -9.245 -7.941 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -16.082 -9.268 -6.206 1.00 0.00 H new ATOM 546 N CYS A 34 -13.446 -4.257 -4.898 1.00 0.00 N ATOM 547 CA CYS A 34 -12.719 -3.588 -3.821 1.00 0.00 C ATOM 548 C CYS A 34 -12.773 -2.077 -4.023 1.00 0.00 C ATOM 549 O CYS A 34 -13.365 -1.589 -4.987 1.00 0.00 O ATOM 550 CB CYS A 34 -11.254 -4.039 -3.807 1.00 0.00 C ATOM 551 SG CYS A 34 -11.176 -5.846 -3.727 1.00 0.00 S ATOM 0 H CYS A 34 -12.998 -4.197 -5.812 1.00 0.00 H new ATOM 0 HA CYS A 34 -13.186 -3.851 -2.872 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -10.745 -3.682 -4.702 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -10.737 -3.604 -2.951 1.00 0.00 H new ATOM 556 N ALA A 35 -12.153 -1.338 -3.109 1.00 0.00 N ATOM 557 CA ALA A 35 -12.142 0.118 -3.207 1.00 0.00 C ATOM 558 C ALA A 35 -10.907 0.589 -3.972 1.00 0.00 C ATOM 559 O ALA A 35 -10.987 0.953 -5.146 1.00 0.00 O ATOM 560 CB ALA A 35 -12.153 0.752 -1.812 1.00 0.00 C ATOM 0 H ALA A 35 -11.657 -1.716 -2.302 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.038 0.429 -3.745 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.145 1.838 -1.906 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -13.051 0.441 -1.278 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.271 0.429 -1.258 1.00 0.00 H new ATOM 566 N LEU A 36 -9.764 0.574 -3.294 1.00 0.00 N ATOM 567 CA LEU A 36 -8.509 0.996 -3.911 1.00 0.00 C ATOM 568 C LEU A 36 -7.329 0.415 -3.140 1.00 0.00 C ATOM 569 O LEU A 36 -6.928 0.939 -2.102 1.00 0.00 O ATOM 570 CB LEU A 36 -8.396 2.522 -3.913 1.00 0.00 C ATOM 571 CG LEU A 36 -9.159 3.096 -5.115 1.00 0.00 C ATOM 572 CD1 LEU A 36 -10.526 3.612 -4.660 1.00 0.00 C ATOM 573 CD2 LEU A 36 -8.360 4.249 -5.726 1.00 0.00 C ATOM 0 H LEU A 36 -9.679 0.276 -2.322 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.496 0.633 -4.939 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.801 2.927 -2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.348 2.819 -3.960 1.00 0.00 H new ATOM 0 HG LEU A 36 -9.297 2.312 -5.860 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.065 4.019 -5.516 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.099 2.792 -4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.390 4.393 -3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.903 4.656 -6.579 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.220 5.030 -4.979 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.387 3.883 -6.055 1.00 0.00 H new ATOM 585 N GLN A 37 -6.778 -0.675 -3.662 1.00 0.00 N ATOM 586 CA GLN A 37 -5.640 -1.323 -3.019 1.00 0.00 C ATOM 587 C GLN A 37 -4.342 -0.728 -3.547 1.00 0.00 C ATOM 588 O GLN A 37 -3.836 -1.144 -4.591 1.00 0.00 O ATOM 589 CB GLN A 37 -5.641 -2.832 -3.296 1.00 0.00 C ATOM 590 CG GLN A 37 -6.910 -3.467 -2.718 1.00 0.00 C ATOM 591 CD GLN A 37 -8.085 -3.193 -3.646 1.00 0.00 C ATOM 592 OE1 GLN A 37 -8.941 -2.361 -3.348 1.00 0.00 O ATOM 593 NE2 GLN A 37 -8.173 -3.849 -4.770 1.00 0.00 N ATOM 0 H GLN A 37 -7.096 -1.125 -4.520 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.720 -1.158 -1.945 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.589 -3.014 -4.370 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -4.759 -3.293 -2.852 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.770 -4.541 -2.599 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.113 -3.061 -1.727 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.462 -4.538 -5.015 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.953 -3.673 -5.404 1.00 0.00 H new ATOM 602 N ILE A 38 -3.805 0.253 -2.823 1.00 0.00 N ATOM 603 CA ILE A 38 -2.563 0.882 -3.252 1.00 0.00 C ATOM 604 C ILE A 38 -1.419 -0.112 -3.161 1.00 0.00 C ATOM 605 O ILE A 38 -1.067 -0.595 -2.082 1.00 0.00 O ATOM 606 CB ILE A 38 -2.221 2.113 -2.408 1.00 0.00 C ATOM 607 CG1 ILE A 38 -3.417 3.069 -2.384 1.00 0.00 C ATOM 608 CG2 ILE A 38 -1.010 2.827 -3.030 1.00 0.00 C ATOM 609 CD1 ILE A 38 -3.141 4.206 -1.398 1.00 0.00 C ATOM 0 H ILE A 38 -4.201 0.621 -1.958 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.705 1.204 -4.284 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.986 1.804 -1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.594 3.473 -3.381 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.320 2.532 -2.093 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.760 3.705 -2.435 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.158 2.148 -3.050 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.252 3.135 -4.047 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.992 4.887 -1.380 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.986 3.793 -0.401 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.248 4.749 -1.709 1.00 0.00 H new ATOM 621 N VAL A 39 -0.830 -0.389 -4.309 1.00 0.00 N ATOM 622 CA VAL A 39 0.292 -1.308 -4.374 1.00 0.00 C ATOM 623 C VAL A 39 1.581 -0.513 -4.479 1.00 0.00 C ATOM 624 O VAL A 39 1.561 0.707 -4.646 1.00 0.00 O ATOM 625 CB VAL A 39 0.168 -2.255 -5.572 1.00 0.00 C ATOM 626 CG1 VAL A 39 -1.091 -3.111 -5.419 1.00 0.00 C ATOM 627 CG2 VAL A 39 0.072 -1.442 -6.864 1.00 0.00 C ATOM 0 H VAL A 39 -1.108 0.007 -5.207 1.00 0.00 H new ATOM 0 HA VAL A 39 0.297 -1.913 -3.468 1.00 0.00 H new ATOM 0 HB VAL A 39 1.046 -2.899 -5.613 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.179 -3.785 -6.271 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.025 -3.695 -4.501 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.967 -2.464 -5.376 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.016 -2.119 -7.714 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.804 -0.795 -6.823 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.968 -0.832 -6.977 1.00 0.00 H new ATOM 637 N ALA A 40 2.697 -1.205 -4.362 1.00 0.00 N ATOM 638 CA ALA A 40 3.988 -0.543 -4.428 1.00 0.00 C ATOM 639 C ALA A 40 5.088 -1.538 -4.723 1.00 0.00 C ATOM 640 O ALA A 40 4.841 -2.730 -4.866 1.00 0.00 O ATOM 641 CB ALA A 40 4.295 0.130 -3.097 1.00 0.00 C ATOM 0 H ALA A 40 2.739 -2.215 -4.222 1.00 0.00 H new ATOM 0 HA ALA A 40 3.944 0.198 -5.227 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.265 0.624 -3.154 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.524 0.868 -2.876 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.316 -0.620 -2.306 1.00 0.00 H new ATOM 647 N ARG A 41 6.307 -1.027 -4.795 1.00 0.00 N ATOM 648 CA ARG A 41 7.465 -1.871 -5.055 1.00 0.00 C ATOM 649 C ARG A 41 8.645 -1.417 -4.195 1.00 0.00 C ATOM 650 O ARG A 41 9.159 -0.305 -4.354 1.00 0.00 O ATOM 651 CB ARG A 41 7.842 -1.815 -6.534 1.00 0.00 C ATOM 652 CG ARG A 41 8.982 -2.800 -6.820 1.00 0.00 C ATOM 653 CD ARG A 41 8.404 -4.113 -7.350 1.00 0.00 C ATOM 654 NE ARG A 41 8.343 -4.098 -8.809 1.00 0.00 N ATOM 655 CZ ARG A 41 7.296 -4.599 -9.457 1.00 0.00 C ATOM 656 NH1 ARG A 41 6.895 -5.815 -9.207 1.00 0.00 N ATOM 657 NH2 ARG A 41 6.667 -3.874 -10.342 1.00 0.00 N ATOM 0 H ARG A 41 6.521 -0.037 -4.678 1.00 0.00 H new ATOM 0 HA ARG A 41 7.213 -2.900 -4.799 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.976 -2.060 -7.149 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.148 -0.804 -6.802 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.671 -2.373 -7.549 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.554 -2.984 -5.911 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.019 -4.948 -7.015 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.406 -4.268 -6.941 1.00 0.00 H new ATOM 0 HE ARG A 41 9.116 -3.697 -9.339 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.385 -6.381 -8.514 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.092 -6.199 -9.704 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.979 -2.923 -10.537 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.864 -4.259 -10.839 1.00 0.00 H new ATOM 671 N LEU A 42 9.045 -2.291 -3.267 1.00 0.00 N ATOM 672 CA LEU A 42 10.145 -1.995 -2.353 1.00 0.00 C ATOM 673 C LEU A 42 11.500 -2.237 -3.011 1.00 0.00 C ATOM 674 O LEU A 42 11.612 -2.975 -3.993 1.00 0.00 O ATOM 675 CB LEU A 42 10.059 -2.883 -1.114 1.00 0.00 C ATOM 676 CG LEU A 42 8.646 -2.853 -0.533 1.00 0.00 C ATOM 677 CD1 LEU A 42 8.554 -3.866 0.607 1.00 0.00 C ATOM 678 CD2 LEU A 42 8.342 -1.453 0.002 1.00 0.00 C ATOM 0 H LEU A 42 8.621 -3.209 -3.131 1.00 0.00 H new ATOM 0 HA LEU A 42 10.057 -0.944 -2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.331 -3.906 -1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.774 -2.543 -0.365 1.00 0.00 H new ATOM 0 HG LEU A 42 7.924 -3.106 -1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.548 -3.851 1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.773 -4.863 0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.275 -3.608 1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.334 -1.433 0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.060 -1.198 0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.415 -0.729 -0.810 1.00 0.00 H new ATOM 690 N LYS A 43 12.528 -1.608 -2.440 1.00 0.00 N ATOM 691 CA LYS A 43 13.894 -1.745 -2.951 1.00 0.00 C ATOM 692 C LYS A 43 14.725 -2.661 -2.055 1.00 0.00 C ATOM 693 O LYS A 43 15.538 -3.451 -2.536 1.00 0.00 O ATOM 694 CB LYS A 43 14.577 -0.371 -3.016 1.00 0.00 C ATOM 695 CG LYS A 43 14.541 0.159 -4.449 1.00 0.00 C ATOM 696 CD LYS A 43 15.842 -0.212 -5.166 1.00 0.00 C ATOM 697 CE LYS A 43 15.625 -0.162 -6.680 1.00 0.00 C ATOM 698 NZ LYS A 43 14.841 -1.353 -7.112 1.00 0.00 N ATOM 0 H LYS A 43 12.442 -1.000 -1.626 1.00 0.00 H new ATOM 0 HA LYS A 43 13.831 -2.179 -3.949 1.00 0.00 H new ATOM 0 HB2 LYS A 43 14.073 0.327 -2.348 1.00 0.00 H new ATOM 0 HB3 LYS A 43 15.609 -0.451 -2.674 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.688 -0.261 -4.982 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.412 1.241 -4.444 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.636 0.477 -4.879 1.00 0.00 H new ATOM 0 HD3 LYS A 43 16.162 -1.210 -4.867 1.00 0.00 H new ATOM 0 HE2 LYS A 43 15.097 0.752 -6.952 1.00 0.00 H new ATOM 0 HE3 LYS A 43 16.586 -0.140 -7.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.991 -1.517 -8.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 15.154 -2.188 -6.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.830 -1.187 -6.933 1.00 0.00 H new ATOM 712 N ASN A 44 14.524 -2.534 -0.743 1.00 0.00 N ATOM 713 CA ASN A 44 15.270 -3.340 0.235 1.00 0.00 C ATOM 714 C ASN A 44 15.319 -4.816 -0.165 1.00 0.00 C ATOM 715 O ASN A 44 16.331 -5.492 0.022 1.00 0.00 O ATOM 716 CB ASN A 44 14.626 -3.226 1.618 1.00 0.00 C ATOM 717 CG ASN A 44 15.603 -3.722 2.678 1.00 0.00 C ATOM 718 OD1 ASN A 44 15.925 -4.910 2.726 1.00 0.00 O ATOM 719 ND2 ASN A 44 16.100 -2.876 3.537 1.00 0.00 N ATOM 0 H ASN A 44 13.855 -1.885 -0.330 1.00 0.00 H new ATOM 0 HA ASN A 44 16.288 -2.951 0.261 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.351 -2.190 1.818 1.00 0.00 H new ATOM 0 HB3 ASN A 44 13.708 -3.812 1.652 1.00 0.00 H new ATOM 0 HD21 ASN A 44 16.756 -3.198 4.249 1.00 0.00 H new ATOM 0 HD22 ASN A 44 15.833 -1.892 3.497 1.00 0.00 H new ATOM 726 N ASN A 45 14.213 -5.301 -0.712 1.00 0.00 N ATOM 727 CA ASN A 45 14.132 -6.700 -1.134 1.00 0.00 C ATOM 728 C ASN A 45 13.880 -6.818 -2.640 1.00 0.00 C ATOM 729 O ASN A 45 14.194 -7.837 -3.255 1.00 0.00 O ATOM 730 CB ASN A 45 13.009 -7.416 -0.377 1.00 0.00 C ATOM 731 CG ASN A 45 11.662 -6.756 -0.673 1.00 0.00 C ATOM 732 OD1 ASN A 45 11.605 -5.685 -1.274 1.00 0.00 O ATOM 733 ND2 ASN A 45 10.564 -7.340 -0.278 1.00 0.00 N ATOM 0 H ASN A 45 13.366 -4.757 -0.874 1.00 0.00 H new ATOM 0 HA ASN A 45 15.090 -7.168 -0.906 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.978 -8.466 -0.667 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.208 -7.387 0.694 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.660 -6.908 -0.468 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.610 -8.229 0.221 1.00 0.00 H new ATOM 740 N ASN A 46 13.297 -5.767 -3.225 1.00 0.00 N ATOM 741 CA ASN A 46 12.984 -5.754 -4.658 1.00 0.00 C ATOM 742 C ASN A 46 11.753 -6.614 -4.922 1.00 0.00 C ATOM 743 O ASN A 46 11.837 -7.698 -5.501 1.00 0.00 O ATOM 744 CB ASN A 46 14.160 -6.269 -5.505 1.00 0.00 C ATOM 745 CG ASN A 46 14.146 -5.582 -6.866 1.00 0.00 C ATOM 746 OD1 ASN A 46 14.539 -4.422 -6.987 1.00 0.00 O ATOM 747 ND2 ASN A 46 13.712 -6.236 -7.909 1.00 0.00 N ATOM 0 H ASN A 46 13.033 -4.915 -2.730 1.00 0.00 H new ATOM 0 HA ASN A 46 12.790 -4.721 -4.946 1.00 0.00 H new ATOM 0 HB2 ASN A 46 15.103 -6.071 -4.996 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.086 -7.349 -5.630 1.00 0.00 H new ATOM 0 HD21 ASN A 46 13.699 -5.786 -8.824 1.00 0.00 H new ATOM 0 HD22 ASN A 46 13.386 -7.197 -7.809 1.00 0.00 H new ATOM 754 N ARG A 47 10.603 -6.114 -4.480 1.00 0.00 N ATOM 755 CA ARG A 47 9.345 -6.836 -4.659 1.00 0.00 C ATOM 756 C ARG A 47 8.168 -5.872 -4.579 1.00 0.00 C ATOM 757 O ARG A 47 8.323 -4.714 -4.199 1.00 0.00 O ATOM 758 CB ARG A 47 9.185 -7.910 -3.582 1.00 0.00 C ATOM 759 CG ARG A 47 9.826 -9.214 -4.060 1.00 0.00 C ATOM 760 CD ARG A 47 9.363 -10.368 -3.170 1.00 0.00 C ATOM 761 NE ARG A 47 9.441 -11.636 -3.889 1.00 0.00 N ATOM 762 CZ ARG A 47 9.881 -12.738 -3.288 1.00 0.00 C ATOM 763 NH1 ARG A 47 9.561 -12.977 -2.045 1.00 0.00 N ATOM 764 NH2 ARG A 47 10.633 -13.581 -3.940 1.00 0.00 N ATOM 0 H ARG A 47 10.515 -5.219 -3.999 1.00 0.00 H new ATOM 0 HA ARG A 47 9.363 -7.310 -5.640 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.653 -7.582 -2.654 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.128 -8.070 -3.367 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.551 -9.408 -5.097 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.912 -9.130 -4.029 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.982 -10.414 -2.274 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.339 -10.193 -2.842 1.00 0.00 H new ATOM 0 HE ARG A 47 9.154 -11.678 -4.867 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.973 -12.318 -1.534 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.899 -13.822 -1.585 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.884 -13.395 -4.911 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.970 -14.426 -3.479 1.00 0.00 H new ATOM 778 N GLN A 48 6.986 -6.363 -4.948 1.00 0.00 N ATOM 779 CA GLN A 48 5.785 -5.531 -4.921 1.00 0.00 C ATOM 780 C GLN A 48 4.991 -5.766 -3.637 1.00 0.00 C ATOM 781 O GLN A 48 4.829 -6.904 -3.196 1.00 0.00 O ATOM 782 CB GLN A 48 4.894 -5.850 -6.126 1.00 0.00 C ATOM 783 CG GLN A 48 3.734 -4.853 -6.191 1.00 0.00 C ATOM 784 CD GLN A 48 2.589 -5.458 -6.995 1.00 0.00 C ATOM 785 OE1 GLN A 48 2.547 -5.333 -8.219 1.00 0.00 O ATOM 786 NE2 GLN A 48 1.648 -6.114 -6.374 1.00 0.00 N ATOM 0 H GLN A 48 6.835 -7.321 -5.265 1.00 0.00 H new ATOM 0 HA GLN A 48 6.098 -4.488 -4.961 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.478 -5.802 -7.045 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.508 -6.866 -6.046 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.395 -4.606 -5.185 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.065 -3.923 -6.653 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.683 -6.218 -5.360 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.878 -6.523 -6.903 1.00 0.00 H new ATOM 795 N VAL A 49 4.495 -4.680 -3.033 1.00 0.00 N ATOM 796 CA VAL A 49 3.718 -4.814 -1.791 1.00 0.00 C ATOM 797 C VAL A 49 2.609 -3.773 -1.701 1.00 0.00 C ATOM 798 O VAL A 49 2.698 -2.696 -2.284 1.00 0.00 O ATOM 799 CB VAL A 49 4.615 -4.644 -0.563 1.00 0.00 C ATOM 800 CG1 VAL A 49 5.521 -5.863 -0.409 1.00 0.00 C ATOM 801 CG2 VAL A 49 5.469 -3.384 -0.721 1.00 0.00 C ATOM 0 H VAL A 49 4.611 -3.724 -3.370 1.00 0.00 H new ATOM 0 HA VAL A 49 3.282 -5.813 -1.811 1.00 0.00 H new ATOM 0 HB VAL A 49 3.991 -4.549 0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.157 -5.735 0.467 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.910 -6.757 -0.287 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.144 -5.968 -1.297 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.107 -3.265 0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.090 -3.474 -1.613 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.819 -2.514 -0.818 1.00 0.00 H new ATOM 811 N CYS A 50 1.577 -4.100 -0.923 1.00 0.00 N ATOM 812 CA CYS A 50 0.465 -3.177 -0.719 1.00 0.00 C ATOM 813 C CYS A 50 0.757 -2.314 0.497 1.00 0.00 C ATOM 814 O CYS A 50 0.793 -2.805 1.626 1.00 0.00 O ATOM 815 CB CYS A 50 -0.845 -3.937 -0.486 1.00 0.00 C ATOM 816 SG CYS A 50 -1.689 -4.199 -2.068 1.00 0.00 S ATOM 0 H CYS A 50 1.489 -4.988 -0.429 1.00 0.00 H new ATOM 0 HA CYS A 50 0.356 -2.561 -1.612 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.641 -4.895 -0.009 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.488 -3.374 0.191 1.00 0.00 H new ATOM 821 N ILE A 51 0.980 -1.026 0.263 1.00 0.00 N ATOM 822 CA ILE A 51 1.286 -0.124 1.366 1.00 0.00 C ATOM 823 C ILE A 51 0.014 0.312 2.067 1.00 0.00 C ATOM 824 O ILE A 51 -1.062 0.367 1.470 1.00 0.00 O ATOM 825 CB ILE A 51 2.050 1.108 0.883 1.00 0.00 C ATOM 826 CG1 ILE A 51 3.257 0.665 0.062 1.00 0.00 C ATOM 827 CG2 ILE A 51 2.542 1.901 2.093 1.00 0.00 C ATOM 828 CD1 ILE A 51 3.825 1.863 -0.689 1.00 0.00 C ATOM 0 H ILE A 51 0.956 -0.590 -0.659 1.00 0.00 H new ATOM 0 HA ILE A 51 1.917 -0.670 2.068 1.00 0.00 H new ATOM 0 HB ILE A 51 1.393 1.727 0.272 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.018 0.237 0.715 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.966 -0.115 -0.642 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.088 2.781 1.754 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.689 2.213 2.695 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.201 1.275 2.695 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.688 1.549 -1.276 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.063 2.271 -1.353 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.131 2.628 0.025 1.00 0.00 H new ATOM 840 N ASP A 52 0.152 0.600 3.353 1.00 0.00 N ATOM 841 CA ASP A 52 -0.986 1.009 4.160 1.00 0.00 C ATOM 842 C ASP A 52 -1.318 2.485 3.906 1.00 0.00 C ATOM 843 O ASP A 52 -0.414 3.309 3.759 1.00 0.00 O ATOM 844 CB ASP A 52 -0.664 0.804 5.648 1.00 0.00 C ATOM 845 CG ASP A 52 -1.801 0.045 6.327 1.00 0.00 C ATOM 846 OD1 ASP A 52 -1.979 -1.121 6.015 1.00 0.00 O ATOM 847 OD2 ASP A 52 -2.477 0.641 7.150 1.00 0.00 O ATOM 0 H ASP A 52 1.037 0.558 3.858 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.848 0.401 3.885 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.269 0.250 5.754 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.519 1.769 6.134 1.00 0.00 H new ATOM 852 N PRO A 53 -2.612 2.847 3.856 1.00 0.00 N ATOM 853 CA PRO A 53 -3.027 4.246 3.622 1.00 0.00 C ATOM 854 C PRO A 53 -2.857 5.121 4.863 1.00 0.00 C ATOM 855 O PRO A 53 -2.767 6.344 4.767 1.00 0.00 O ATOM 856 CB PRO A 53 -4.498 4.111 3.249 1.00 0.00 C ATOM 857 CG PRO A 53 -4.984 2.800 3.842 1.00 0.00 C ATOM 858 CD PRO A 53 -3.754 1.911 4.032 1.00 0.00 C ATOM 0 HA PRO A 53 -2.423 4.734 2.857 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.074 4.949 3.641 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.624 4.116 2.166 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.487 2.970 4.794 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.707 2.322 3.181 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.743 1.448 5.018 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.727 1.104 3.300 1.00 0.00 H new ATOM 866 N LYS A 54 -2.810 4.479 6.030 1.00 0.00 N ATOM 867 CA LYS A 54 -2.644 5.211 7.281 1.00 0.00 C ATOM 868 C LYS A 54 -1.161 5.439 7.604 1.00 0.00 C ATOM 869 O LYS A 54 -0.825 5.908 8.692 1.00 0.00 O ATOM 870 CB LYS A 54 -3.289 4.441 8.436 1.00 0.00 C ATOM 871 CG LYS A 54 -3.420 5.353 9.665 1.00 0.00 C ATOM 872 CD LYS A 54 -2.395 4.945 10.727 1.00 0.00 C ATOM 873 CE LYS A 54 -3.043 3.972 11.715 1.00 0.00 C ATOM 874 NZ LYS A 54 -2.006 3.050 12.257 1.00 0.00 N ATOM 0 H LYS A 54 -2.884 3.467 6.133 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.131 6.179 7.160 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.272 4.076 8.137 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.686 3.567 8.683 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.263 6.392 9.376 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.428 5.284 10.074 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.531 4.478 10.254 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.031 5.827 11.254 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.515 4.523 12.528 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.828 3.402 11.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.446 2.389 12.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.575 2.515 11.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.272 3.602 12.745 1.00 0.00 H new ATOM 888 N LEU A 55 -0.272 5.113 6.658 1.00 0.00 N ATOM 889 CA LEU A 55 1.157 5.304 6.885 1.00 0.00 C ATOM 890 C LEU A 55 1.462 6.784 7.081 1.00 0.00 C ATOM 891 O LEU A 55 0.661 7.650 6.728 1.00 0.00 O ATOM 892 CB LEU A 55 1.970 4.753 5.709 1.00 0.00 C ATOM 893 CG LEU A 55 2.522 3.367 6.067 1.00 0.00 C ATOM 894 CD1 LEU A 55 3.254 2.768 4.860 1.00 0.00 C ATOM 895 CD2 LEU A 55 3.491 3.486 7.250 1.00 0.00 C ATOM 0 H LEU A 55 -0.514 4.724 5.747 1.00 0.00 H new ATOM 0 HA LEU A 55 1.439 4.759 7.786 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.343 4.687 4.820 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.789 5.431 5.471 1.00 0.00 H new ATOM 0 HG LEU A 55 1.694 2.714 6.342 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.643 1.784 5.122 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.561 2.673 4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.079 3.420 4.575 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.881 2.500 7.501 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.316 4.144 6.979 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.965 3.899 8.111 1.00 0.00 H new ATOM 907 N LYS A 56 2.616 7.063 7.676 1.00 0.00 N ATOM 908 CA LYS A 56 3.002 8.438 7.948 1.00 0.00 C ATOM 909 C LYS A 56 3.508 9.141 6.699 1.00 0.00 C ATOM 910 O LYS A 56 3.275 10.336 6.515 1.00 0.00 O ATOM 911 CB LYS A 56 4.087 8.490 9.027 1.00 0.00 C ATOM 912 CG LYS A 56 3.456 8.242 10.399 1.00 0.00 C ATOM 913 CD LYS A 56 4.296 8.923 11.480 1.00 0.00 C ATOM 914 CE LYS A 56 3.724 10.311 11.775 1.00 0.00 C ATOM 915 NZ LYS A 56 4.196 11.274 10.739 1.00 0.00 N ATOM 0 H LYS A 56 3.293 6.362 7.976 1.00 0.00 H new ATOM 0 HA LYS A 56 2.109 8.955 8.298 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.851 7.739 8.826 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.582 9.461 9.013 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.437 8.630 10.418 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.393 7.171 10.594 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.298 8.319 12.387 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.332 9.008 11.151 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.635 10.273 11.782 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.038 10.643 12.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.074 12.246 11.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.202 11.102 10.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.642 11.147 9.868 1.00 0.00 H new ATOM 929 N TRP A 57 4.205 8.409 5.842 1.00 0.00 N ATOM 930 CA TRP A 57 4.716 9.019 4.623 1.00 0.00 C ATOM 931 C TRP A 57 3.670 8.967 3.519 1.00 0.00 C ATOM 932 O TRP A 57 3.644 9.827 2.634 1.00 0.00 O ATOM 933 CB TRP A 57 6.025 8.367 4.165 1.00 0.00 C ATOM 934 CG TRP A 57 5.822 6.942 3.752 1.00 0.00 C ATOM 935 CD1 TRP A 57 5.835 5.869 4.582 1.00 0.00 C ATOM 936 CD2 TRP A 57 5.603 6.420 2.415 1.00 0.00 C ATOM 937 NE1 TRP A 57 5.661 4.724 3.825 1.00 0.00 N ATOM 938 CE2 TRP A 57 5.509 5.014 2.487 1.00 0.00 C ATOM 939 CE3 TRP A 57 5.482 7.030 1.156 1.00 0.00 C ATOM 940 CZ2 TRP A 57 5.307 4.239 1.349 1.00 0.00 C ATOM 941 CZ3 TRP A 57 5.272 6.252 0.005 1.00 0.00 C ATOM 942 CH2 TRP A 57 5.187 4.858 0.103 1.00 0.00 C ATOM 0 H TRP A 57 4.425 7.420 5.961 1.00 0.00 H new ATOM 0 HA TRP A 57 4.935 10.063 4.845 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.440 8.932 3.330 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.755 8.411 4.973 1.00 0.00 H new ATOM 0 HD1 TRP A 57 5.960 5.903 5.654 1.00 0.00 H new ATOM 0 HE1 TRP A 57 5.647 3.780 4.211 1.00 0.00 H new ATOM 0 HE3 TRP A 57 5.551 8.105 1.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.243 3.164 1.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.176 6.731 -0.958 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.029 4.262 -0.784 1.00 0.00 H new ATOM 953 N ILE A 58 2.796 7.963 3.573 1.00 0.00 N ATOM 954 CA ILE A 58 1.763 7.849 2.563 1.00 0.00 C ATOM 955 C ILE A 58 0.628 8.833 2.850 1.00 0.00 C ATOM 956 O ILE A 58 -0.115 9.187 1.940 1.00 0.00 O ATOM 957 CB ILE A 58 1.251 6.396 2.435 1.00 0.00 C ATOM 958 CG1 ILE A 58 2.326 5.607 1.636 1.00 0.00 C ATOM 959 CG2 ILE A 58 -0.128 6.351 1.720 1.00 0.00 C ATOM 960 CD1 ILE A 58 1.718 4.469 0.799 1.00 0.00 C ATOM 0 H ILE A 58 2.786 7.237 4.289 1.00 0.00 H new ATOM 0 HA ILE A 58 2.197 8.111 1.598 1.00 0.00 H new ATOM 0 HB ILE A 58 1.102 5.951 3.419 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.861 6.292 0.978 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.058 5.193 2.329 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.465 5.317 1.643 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.854 6.927 2.293 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.034 6.777 0.721 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.511 3.950 0.261 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.206 3.767 1.457 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.006 4.883 0.085 1.00 0.00 H new ATOM 972 N GLN A 59 0.495 9.291 4.099 1.00 0.00 N ATOM 973 CA GLN A 59 -0.563 10.247 4.393 1.00 0.00 C ATOM 974 C GLN A 59 -0.272 11.559 3.662 1.00 0.00 C ATOM 975 O GLN A 59 -1.186 12.275 3.254 1.00 0.00 O ATOM 976 CB GLN A 59 -0.713 10.502 5.899 1.00 0.00 C ATOM 977 CG GLN A 59 0.627 10.921 6.502 1.00 0.00 C ATOM 978 CD GLN A 59 0.396 11.980 7.577 1.00 0.00 C ATOM 979 OE1 GLN A 59 -0.473 11.823 8.433 1.00 0.00 O ATOM 980 NE2 GLN A 59 1.131 13.058 7.581 1.00 0.00 N ATOM 0 H GLN A 59 1.083 9.026 4.889 1.00 0.00 H new ATOM 0 HA GLN A 59 -1.506 9.824 4.046 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.456 11.281 6.071 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -1.076 9.601 6.393 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.130 10.055 6.932 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.280 11.315 5.723 1.00 0.00 H new ATOM 0 HE21 GLN A 59 1.851 13.187 6.870 1.00 0.00 H new ATOM 0 HE22 GLN A 59 0.985 13.772 8.295 1.00 0.00 H new ATOM 989 N GLU A 60 1.021 11.846 3.471 1.00 0.00 N ATOM 990 CA GLU A 60 1.427 13.052 2.758 1.00 0.00 C ATOM 991 C GLU A 60 1.305 12.825 1.252 1.00 0.00 C ATOM 992 O GLU A 60 0.999 13.745 0.494 1.00 0.00 O ATOM 993 CB GLU A 60 2.874 13.416 3.095 1.00 0.00 C ATOM 994 CG GLU A 60 2.895 14.374 4.288 1.00 0.00 C ATOM 995 CD GLU A 60 4.339 14.666 4.681 1.00 0.00 C ATOM 996 OE1 GLU A 60 4.966 15.466 4.005 1.00 0.00 O ATOM 997 OE2 GLU A 60 4.796 14.087 5.653 1.00 0.00 O ATOM 0 H GLU A 60 1.792 11.264 3.798 1.00 0.00 H new ATOM 0 HA GLU A 60 0.775 13.870 3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.442 12.515 3.328 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.353 13.881 2.233 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.382 15.301 4.032 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.360 13.935 5.130 1.00 0.00 H new ATOM 1004 N TYR A 61 1.539 11.584 0.835 1.00 0.00 N ATOM 1005 CA TYR A 61 1.444 11.230 -0.579 1.00 0.00 C ATOM 1006 C TYR A 61 -0.026 11.199 -1.006 1.00 0.00 C ATOM 1007 O TYR A 61 -0.397 11.730 -2.052 1.00 0.00 O ATOM 1008 CB TYR A 61 2.127 9.851 -0.813 1.00 0.00 C ATOM 1009 CG TYR A 61 1.537 9.107 -1.998 1.00 0.00 C ATOM 1010 CD1 TYR A 61 1.485 9.712 -3.259 1.00 0.00 C ATOM 1011 CD2 TYR A 61 1.030 7.815 -1.820 1.00 0.00 C ATOM 1012 CE1 TYR A 61 0.923 9.024 -4.341 1.00 0.00 C ATOM 1013 CE2 TYR A 61 0.472 7.126 -2.900 1.00 0.00 C ATOM 1014 CZ TYR A 61 0.417 7.730 -4.162 1.00 0.00 C ATOM 1015 OH TYR A 61 -0.136 7.052 -5.230 1.00 0.00 O ATOM 0 H TYR A 61 1.794 10.811 1.450 1.00 0.00 H new ATOM 0 HA TYR A 61 1.957 11.977 -1.185 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.194 10.000 -0.976 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.024 9.240 0.084 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.878 10.708 -3.397 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.070 7.350 -0.846 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.880 9.491 -5.314 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.083 6.128 -2.761 1.00 0.00 H new ATOM 0 HH TYR A 61 -0.438 6.168 -4.935 1.00 0.00 H new ATOM 1025 N LEU A 62 -0.841 10.553 -0.192 1.00 0.00 N ATOM 1026 CA LEU A 62 -2.259 10.428 -0.487 1.00 0.00 C ATOM 1027 C LEU A 62 -2.925 11.796 -0.529 1.00 0.00 C ATOM 1028 O LEU A 62 -3.879 12.013 -1.277 1.00 0.00 O ATOM 1029 CB LEU A 62 -2.934 9.560 0.573 1.00 0.00 C ATOM 1030 CG LEU A 62 -3.987 8.665 -0.085 1.00 0.00 C ATOM 1031 CD1 LEU A 62 -4.152 7.383 0.734 1.00 0.00 C ATOM 1032 CD2 LEU A 62 -5.323 9.408 -0.141 1.00 0.00 C ATOM 0 H LEU A 62 -0.547 10.107 0.677 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.367 9.959 -1.465 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.190 8.948 1.083 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.401 10.191 1.330 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.668 8.412 -1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.902 6.746 0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.200 6.853 0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.471 7.636 1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.074 8.772 -0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.641 9.661 0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.207 10.322 -0.724 1.00 0.00 H new ATOM 1044 N GLU A 63 -2.411 12.724 0.273 1.00 0.00 N ATOM 1045 CA GLU A 63 -2.978 14.074 0.292 1.00 0.00 C ATOM 1046 C GLU A 63 -2.356 14.928 -0.816 1.00 0.00 C ATOM 1047 O GLU A 63 -2.980 15.860 -1.324 1.00 0.00 O ATOM 1048 CB GLU A 63 -2.769 14.753 1.655 1.00 0.00 C ATOM 1049 CG GLU A 63 -1.277 14.929 1.939 1.00 0.00 C ATOM 1050 CD GLU A 63 -1.089 15.488 3.345 1.00 0.00 C ATOM 1051 OE1 GLU A 63 -1.098 14.704 4.280 1.00 0.00 O ATOM 1052 OE2 GLU A 63 -0.937 16.693 3.466 1.00 0.00 O ATOM 0 H GLU A 63 -1.623 12.576 0.904 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.050 13.984 0.119 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.265 15.724 1.665 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.227 14.153 2.441 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.763 13.973 1.845 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.834 15.603 1.206 1.00 0.00 H new ATOM 1059 N LYS A 64 -1.122 14.592 -1.187 1.00 0.00 N ATOM 1060 CA LYS A 64 -0.424 15.324 -2.238 1.00 0.00 C ATOM 1061 C LYS A 64 -0.867 14.828 -3.612 1.00 0.00 C ATOM 1062 O LYS A 64 -0.862 15.578 -4.587 1.00 0.00 O ATOM 1063 CB LYS A 64 1.089 15.137 -2.104 1.00 0.00 C ATOM 1064 CG LYS A 64 1.812 16.057 -3.091 1.00 0.00 C ATOM 1065 CD LYS A 64 2.113 15.288 -4.381 1.00 0.00 C ATOM 1066 CE LYS A 64 3.440 15.773 -4.968 1.00 0.00 C ATOM 1067 NZ LYS A 64 3.331 17.217 -5.316 1.00 0.00 N ATOM 0 H LYS A 64 -0.590 13.824 -0.778 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.669 16.381 -2.135 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.404 15.362 -1.085 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.355 14.098 -2.298 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.195 16.929 -3.310 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.738 16.425 -2.650 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.163 14.219 -4.176 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.309 15.437 -5.101 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.245 15.621 -4.249 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.691 15.192 -5.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.139 17.493 -5.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.446 17.383 -5.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.331 17.785 -4.445 1.00 0.00 H new ATOM 1081 N ALA A 65 -1.253 13.553 -3.679 1.00 0.00 N ATOM 1082 CA ALA A 65 -1.699 12.973 -4.942 1.00 0.00 C ATOM 1083 C ALA A 65 -3.223 13.032 -5.065 1.00 0.00 C ATOM 1084 O ALA A 65 -3.823 12.279 -5.832 1.00 0.00 O ATOM 1085 CB ALA A 65 -1.252 11.513 -5.044 1.00 0.00 C ATOM 0 H ALA A 65 -1.265 12.912 -2.885 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.252 13.555 -5.748 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.592 11.094 -5.991 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.164 11.461 -4.994 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.681 10.943 -4.220 1.00 0.00 H new ATOM 1091 N LEU A 66 -3.849 13.936 -4.308 1.00 0.00 N ATOM 1092 CA LEU A 66 -5.302 14.075 -4.354 1.00 0.00 C ATOM 1093 C LEU A 66 -5.723 14.804 -5.627 1.00 0.00 C ATOM 1094 O LEU A 66 -6.764 14.508 -6.213 1.00 0.00 O ATOM 1095 CB LEU A 66 -5.804 14.856 -3.138 1.00 0.00 C ATOM 1096 CG LEU A 66 -7.335 14.818 -3.100 1.00 0.00 C ATOM 1097 CD1 LEU A 66 -7.808 14.745 -1.647 1.00 0.00 C ATOM 1098 CD2 LEU A 66 -7.895 16.084 -3.755 1.00 0.00 C ATOM 0 H LEU A 66 -3.379 14.573 -3.665 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.739 13.077 -4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.397 14.426 -2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.457 15.888 -3.187 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.689 13.941 -3.642 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.897 14.718 -1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.411 13.844 -1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.453 15.621 -1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.984 16.056 -3.728 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.541 16.961 -3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.559 16.137 -4.791 1.00 0.00 H new ATOM 1110 N ASN A 67 -4.899 15.760 -6.046 1.00 0.00 N ATOM 1111 CA ASN A 67 -5.193 16.530 -7.252 1.00 0.00 C ATOM 1112 C ASN A 67 -3.933 16.701 -8.094 1.00 0.00 C ATOM 1113 O ASN A 67 -2.858 16.446 -7.577 1.00 0.00 O ATOM 1114 CB ASN A 67 -5.741 17.911 -6.888 1.00 0.00 C ATOM 1115 CG ASN A 67 -4.779 18.604 -5.929 1.00 0.00 C ATOM 1116 OD1 ASN A 67 -3.584 18.709 -6.206 1.00 0.00 O ATOM 1117 ND2 ASN A 67 -5.232 19.091 -4.806 1.00 0.00 N ATOM 1118 OXT ASN A 67 -4.062 17.084 -9.246 1.00 0.00 O ATOM 0 H ASN A 67 -4.032 16.019 -5.575 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.942 15.984 -7.825 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.869 18.512 -7.788 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.724 17.814 -6.427 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.596 19.558 -4.159 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.222 19.005 -4.575 1.00 0.00 H new TER 1125 ASN A 67